./iterations/neb0_image09_iter59_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423642006850E+04 0.42364E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.427801353084E+03 -0.46642E+04 -0.45642E+04 3366 0.329E+02
DAV: 3 -0.942930995357E+03 -0.51513E+03 -0.51296E+03 3120 0.118E+02
DAV: 4 -0.955227123600E+03 -0.12296E+02 -0.12251E+02 3183 0.196E+01
DAV: 5 -0.955631482981E+03 -0.40436E+00 -0.40382E+00 3192 0.321E+00 0.812E+01
DAV: 6 -0.847638870371E+03 0.10799E+03 -0.47138E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.847077535721E+03 0.56133E+00 -0.14684E+01 3498 0.626E+00 0.148E+01
DAV: 8 -0.846734782167E+03 0.34275E+00 -0.17382E+00 3246 0.356E+00 0.607E+00
DAV: 9 -0.846648658127E+03 0.86124E-01 -0.68151E-01 3219 0.201E+00 0.155E+00
DAV: 10 -0.846638810549E+03 0.98476E-02 -0.17376E-01 3633 0.131E+00 0.137E+00
DAV: 11 -0.846596731412E+03 0.42079E-01 -0.61456E-02 3561 0.896E-01 0.861E-01
DAV: 12 -0.846591942593E+03 0.47888E-02 -0.79279E-02 3534 0.578E-01 0.631E-01
DAV: 13 -0.846588555375E+03 0.33872E-02 -0.55341E-02 3453 0.650E-01 0.832E-01
DAV: 14 -0.846582903913E+03 0.56515E-02 -0.78035E-02 3696 0.513E-01 0.445E-01
DAV: 15 -0.846580204964E+03 0.26989E-02 -0.45671E-02 3057 0.523E-01 0.437E-01
DAV: 16 -0.846578109890E+03 0.20951E-02 -0.95008E-03 3147 0.194E-01 0.251E-01
DAV: 17 -0.846578778574E+03 -0.66868E-03 -0.29842E-03 3030 0.126E-01 0.207E-01
DAV: 18 -0.846580236357E+03 -0.14578E-02 -0.17363E-03 3219 0.129E-01 0.101E-01
DAV: 19 -0.846583044558E+03 -0.28082E-02 -0.19027E-03 3084 0.104E-01 0.765E-02
DAV: 20 -0.846586570656E+03 -0.35261E-02 -0.79434E-04 3084 0.773E-02 0.560E-02
DAV: 21 -0.846588406339E+03 -0.18357E-02 -0.32807E-04 3102 0.441E-02 0.400E-02
DAV: 22 -0.846589679043E+03 -0.12727E-02 -0.15874E-04 3084 0.310E-02 0.356E-02
DAV: 23 -0.846590718271E+03 -0.10392E-02 -0.94733E-05 2895 0.246E-02 0.149E-02
DAV: 24 -0.846591164174E+03 -0.44590E-03 -0.43959E-05 2490 0.179E-02 0.113E-02
DAV: 25 -0.846591385554E+03 -0.22138E-03 -0.17626E-05 1968 0.131E-02 0.751E-03
DAV: 26 -0.846591519367E+03 -0.13381E-03 -0.97383E-06 1977 0.824E-03 0.842E-03
DAV: 27 -0.846591578538E+03 -0.59170E-04 -0.71038E-06 1977 0.671E-03 0.304E-03
DAV: 28 -0.846591607217E+03 -0.28680E-04 -0.31287E-06 1977 0.514E-03 0.208E-03
DAV: 29 -0.846591620129E+03 -0.12912E-04 -0.20829E-06 1959 0.337E-03 0.170E-03
DAV: 30 -0.846591622554E+03 -0.24250E-05 -0.67527E-07 2004 0.173E-03
1 F= -.84659162E+03 E0= -.84664175E+03 d E =0.150396E+00